BDBM50424069 CHEMBL2314736

SMILES: CCCCCC(=O)Oc1c(OC)ccc2CC3N(CCc4cc5OCOc5cc34)Cc12

InChI Key: InChIKey=QKTMOFCEKLXJHN-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50424069   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Coagulation factor VII/tissue factor (Homo sapiens (Human))	BDBM50424069 (CHEMBL2314736) Show SMILES CCCCCC(=O)Oc1c(OC)ccc2CC3N(CCc4cc5OCOc5cc34)Cc12 Show InChI InChI=1S/C25H29NO5/c1-3-4-5-6-24(27)31-25-19-14-26-10-9-17-12-22-23(30-15-29-22)13-18(17)20(26)11-16(19)7-8-21(25)28-2/h7-8,12-13,20H,3-6,9-11,14-15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of tissue factor procoagulant activity in LPS-stimulated human THP1 cells preincubated for 1 hr before LPS addition measured after 5 hrs				Bioorg Med Chem 21: 62-9 (2012) Article DOI: 10.1016/j.bmc.2012.11.002 BindingDB Entry DOI: 10.7270/Q2M32X22
					More data for this Ligand-Target Pair